butyl 4-[2-(3,4-dimethoxyphenyl)sulfanylpropanoylamino]benzoate

Systemtic Name: butyl 4-[2-(3,4-dimethoxyphenyl)sulfanylpropanoylamino]benzoate Openeye Name: butyl 4-[2-(3,4-dimethoxyphenyl)sulfanylpropanoylamino]benzoate CAS Name: 4-[[2-[(3,4-dimethoxyphenyl)thio]-1-oxopropyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[2-(3,4-dimethoxyphenyl)sulfanylpropanoylamino]benzoate Traditional Name: 4-[2-[(3,4-dimethoxyphenyl)thio]propanoylamino]benzoic acid butyl ester Formula: C22H27NO5S MolecularWeight: 417.51848

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C(C)SC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C(C)SC2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C22H27NO5S/c1-5-6-13-28-22(25)16-7-9-17(10-8-16)23-21(24)15(2)29-18-11-12-19(26-3)20(14-18)27-4/h7-12,14-15H,5-6,13H2,1-4H3,(H,23,24)